SCHEMBL20545834

SCHEMBL20545834

NC(CC(=O)O)c1ccc(OC(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.47
MME P08473 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.42
MMP12 P39900 1/20 0.42
CASR P41180 1/20 0.41
S1PR1 P21453 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20545832 1.00 CTSA (0.47) CTSAMMEPTGDR2FFAR4KMT2A
SCHEMBL20546329 0.87 CTSA (0.48) CTSAKMT2ASMN1; SMN2FFAR1
SCHEMBL20546331 0.87 CTSA (0.48) CTSAKMT2ASMN1; SMN2FFAR1
SCHEMBL28368181 0.86 CTSA (0.42) CTSAPTGDR2FFAR4KMT2ASMN1; SMN2
SCHEMBL29219754 0.86 CTSA (0.42) CTSAPTGDR2FFAR4KMT2ASMN1; SMN2
SCHEMBL30541459 0.86 CTSA (0.42) CTSAPTGDR2FFAR4KMT2ASMN1; SMN2
SCHEMBL20545844 0.86 CTSA (0.46) CTSAMMEFFAR4KMT2ASMN1; SMN2
SCHEMBL20545846 0.86 CTSA (0.46) CTSAMMEFFAR4KMT2ASMN1; SMN2
SCHEMBL20546167 0.85 CTSA (0.63) CTSAMMEFFAR4KMT2ASMN1; SMN2
SCHEMBL20546164 0.85 CTSA (0.63) CTSAMMEFFAR4KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885MME 3180/4885PTGDR2 173/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885MME 3180/4885PTGDR2 173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.